data_50277 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of Ca 2+ /calmodulin-dependent protein kinase 1D ; _BMRB_accession_number 50277 _BMRB_flat_file_name bmr50277.str _Entry_type original _Submission_date 2020-05-16 _Accession_date 2020-05-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignments of Ca 2+ /calmodulin-dependent protein kinase 1D' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tong Michael . . 2 Jeeves Mark . . 3 Rajesh Sundaresan . . 4 Ludwig Christian . . 5 Lenoir Marc . . 6 Kumar Jitendra . . 7 McClelland Darren M. . 8 Berditchevski Fedor . . 9 Hubbard Julia A. . 10 Kenyon Colin . . 11 Butterworth Sam . . 12 Knapp Stefan . . 13 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 254 "13C chemical shifts" 823 "15N chemical shifts" 254 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-25 original BMRB . stop_ _Original_release_date 2020-05-18 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments of the catalytic and regulatory domains of Ca 2+/calmodulin-dependent protein kinase 1D ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32535836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tong Michael . . 2 Jeeves Mark . . 3 Rajesh Sundaresan . . 4 Ludwig Christian . . 5 Lenoir Marc . . 6 Kumar Jitendra . . 7 McClelland Darren M. . 8 Berditchevski Fedor . . 9 Hubbard Julia A. . 10 Kenyon Colin . . 11 Butterworth Sam . . 12 Knapp Stefan . . 13 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'Protein resonance assignment, NMR, calcium/calmodulin dependent protein kinase, CaMK1D, CKLiK' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Monomeric Ca 2+ /calmodulin-dependent protein kinase type 1D' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight 37837.11 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details monomer save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function ; Calcium/calmodulin-dependent protein kinase that operates in the calcium-triggered CaMKK-CaMK1 signaling cascade and, upon calcium influx, activates CREB-dependent gene transcription, regulates calcium-mediated granulocyte function and respiratory burst and promotes basal dendritic growth of hippocampal neurons. In neutrophil cells, required for cytokine-induced proliferative responses and activation of the respiratory burst. Activates the transcription factor CREB1 in hippocampal neuron nuclei. May play a role in apoptosis of erythroleukemia cells. ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 334 _Mol_residue_sequence ; SMARENGESSSSWKKQAEDI KKIFEFKETLGTGAFSEVVL AEEKATGKLFAVKCIPKKAL KGKESSIENEIAVLRKIKHE NIVALEDIYESPNHLYLVMQ LVSGGELFDRIVEKGFYTEK DASTLIRQVLDAVYYLHRMG IVHRDLKPENLLYYSQDEES KIMISDFGLSKMEGKGDVMS TACGTPGYVAPEVLAQKPYS KAVDCWSIGVIAYILLCGYP PFYDENDSKLFEQILKAEYE FDSPYWDDISDSAKDFIRNL MEKDPNKRYTCEQAARHPWI AGDTALNKNIHESVSAQIRK NFAKSKWRQAFNATAVVRHM RKLHLGSSLDSSNA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 MET 3 2 ALA 4 3 ARG 5 4 GLU 6 5 ASN 7 6 GLY 8 7 GLU 9 8 SER 10 9 SER 11 10 SER 12 11 SER 13 12 TRP 14 13 LYS 15 14 LYS 16 15 GLN 17 16 ALA 18 17 GLU 19 18 ASP 20 19 ILE 21 20 LYS 22 21 LYS 23 22 ILE 24 23 PHE 25 24 GLU 26 25 PHE 27 26 LYS 28 27 GLU 29 28 THR 30 29 LEU 31 30 GLY 32 31 THR 33 32 GLY 34 33 ALA 35 34 PHE 36 35 SER 37 36 GLU 38 37 VAL 39 38 VAL 40 39 LEU 41 40 ALA 42 41 GLU 43 42 GLU 44 43 LYS 45 44 ALA 46 45 THR 47 46 GLY 48 47 LYS 49 48 LEU 50 49 PHE 51 50 ALA 52 51 VAL 53 52 LYS 54 53 CYS 55 54 ILE 56 55 PRO 57 56 LYS 58 57 LYS 59 58 ALA 60 59 LEU 61 60 LYS 62 61 GLY 63 62 LYS 64 63 GLU 65 64 SER 66 65 SER 67 66 ILE 68 67 GLU 69 68 ASN 70 69 GLU 71 70 ILE 72 71 ALA 73 72 VAL 74 73 LEU 75 74 ARG 76 75 LYS 77 76 ILE 78 77 LYS 79 78 HIS 80 79 GLU 81 80 ASN 82 81 ILE 83 82 VAL 84 83 ALA 85 84 LEU 86 85 GLU 87 86 ASP 88 87 ILE 89 88 TYR 90 89 GLU 91 90 SER 92 91 PRO 93 92 ASN 94 93 HIS 95 94 LEU 96 95 TYR 97 96 LEU 98 97 VAL 99 98 MET 100 99 GLN 101 100 LEU 102 101 VAL 103 102 SER 104 103 GLY 105 104 GLY 106 105 GLU 107 106 LEU 108 107 PHE 109 108 ASP 110 109 ARG 111 110 ILE 112 111 VAL 113 112 GLU 114 113 LYS 115 114 GLY 116 115 PHE 117 116 TYR 118 117 THR 119 118 GLU 120 119 LYS 121 120 ASP 122 121 ALA 123 122 SER 124 123 THR 125 124 LEU 126 125 ILE 127 126 ARG 128 127 GLN 129 128 VAL 130 129 LEU 131 130 ASP 132 131 ALA 133 132 VAL 134 133 TYR 135 134 TYR 136 135 LEU 137 136 HIS 138 137 ARG 139 138 MET 140 139 GLY 141 140 ILE 142 141 VAL 143 142 HIS 144 143 ARG 145 144 ASP 146 145 LEU 147 146 LYS 148 147 PRO 149 148 GLU 150 149 ASN 151 150 LEU 152 151 LEU 153 152 TYR 154 153 TYR 155 154 SER 156 155 GLN 157 156 ASP 158 157 GLU 159 158 GLU 160 159 SER 161 160 LYS 162 161 ILE 163 162 MET 164 163 ILE 165 164 SER 166 165 ASP 167 166 PHE 168 167 GLY 169 168 LEU 170 169 SER 171 170 LYS 172 171 MET 173 172 GLU 174 173 GLY 175 174 LYS 176 175 GLY 177 176 ASP 178 177 VAL 179 178 MET 180 179 SER 181 180 THR 182 181 ALA 183 182 CYS 184 183 GLY 185 184 THR 186 185 PRO 187 186 GLY 188 187 TYR 189 188 VAL 190 189 ALA 191 190 PRO 192 191 GLU 193 192 VAL 194 193 LEU 195 194 ALA 196 195 GLN 197 196 LYS 198 197 PRO 199 198 TYR 200 199 SER 201 200 LYS 202 201 ALA 203 202 VAL 204 203 ASP 205 204 CYS 206 205 TRP 207 206 SER 208 207 ILE 209 208 GLY 210 209 VAL 211 210 ILE 212 211 ALA 213 212 TYR 214 213 ILE 215 214 LEU 216 215 LEU 217 216 CYS 218 217 GLY 219 218 TYR 220 219 PRO 221 220 PRO 222 221 PHE 223 222 TYR 224 223 ASP 225 224 GLU 226 225 ASN 227 226 ASP 228 227 SER 229 228 LYS 230 229 LEU 231 230 PHE 232 231 GLU 233 232 GLN 234 233 ILE 235 234 LEU 236 235 LYS 237 236 ALA 238 237 GLU 239 238 TYR 240 239 GLU 241 240 PHE 242 241 ASP 243 242 SER 244 243 PRO 245 244 TYR 246 245 TRP 247 246 ASP 248 247 ASP 249 248 ILE 250 249 SER 251 250 ASP 252 251 SER 253 252 ALA 254 253 LYS 255 254 ASP 256 255 PHE 257 256 ILE 258 257 ARG 259 258 ASN 260 259 LEU 261 260 MET 262 261 GLU 263 262 LYS 264 263 ASP 265 264 PRO 266 265 ASN 267 266 LYS 268 267 ARG 269 268 TYR 270 269 THR 271 270 CYS 272 271 GLU 273 272 GLN 274 273 ALA 275 274 ALA 276 275 ARG 277 276 HIS 278 277 PRO 279 278 TRP 280 279 ILE 281 280 ALA 282 281 GLY 283 282 ASP 284 283 THR 285 284 ALA 286 285 LEU 287 286 ASN 288 287 LYS 289 288 ASN 290 289 ILE 291 290 HIS 292 291 GLU 293 292 SER 294 293 VAL 295 294 SER 296 295 ALA 297 296 GLN 298 297 ILE 299 298 ARG 300 299 LYS 301 300 ASN 302 301 PHE 303 302 ALA 304 303 LYS 305 304 SER 306 305 LYS 307 306 TRP 308 307 ARG 309 308 GLN 310 309 ALA 311 310 PHE 312 311 ASN 313 312 ALA 314 313 THR 315 314 ALA 316 315 VAL 317 316 VAL 318 317 ARG 319 318 HIS 320 319 MET 321 320 ARG 322 321 LYS 323 322 LEU 324 323 HIS 325 324 LEU 326 325 GLY 327 326 SER 328 327 SER 329 328 LEU 330 329 ASP 331 330 SER 332 331 SER 333 332 ASN 334 333 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q8IU85 'Calcium/calmodulin-dependent protein kinase type 1D' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE2), Rosetta (DE3)' plasmid pNIC28-Bsa4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 MET C C 175.779 0.3 1 2 1 2 MET CA C 55.139 0.3 1 3 1 2 MET CB C 32.266 0.3 1 4 2 3 ALA H H 8.354 0.020 1 5 2 3 ALA C C 177.349 0.3 1 6 2 3 ALA CA C 52.042 0.3 1 7 2 3 ALA CB C 18.480 0.3 1 8 2 3 ALA N N 126.137 0.3 1 9 3 4 ARG H H 8.232 0.020 1 10 3 4 ARG C C 176.064 0.3 1 11 3 4 ARG CA C 55.406 0.3 1 12 3 4 ARG CB C 30.176 0.3 1 13 3 4 ARG N N 120.940 0.3 1 14 4 5 GLU H H 8.407 0.020 1 15 4 5 GLU C C 175.329 0.3 1 16 4 5 GLU CA C 55.974 0.3 1 17 4 5 GLU CB C 29.820 0.3 1 18 4 5 GLU N N 122.895 0.3 1 19 5 6 ASN H H 8.003 0.020 1 20 5 6 ASN C C 179.348 0.3 1 21 5 6 ASN CA C 54.457 0.3 1 22 5 6 ASN CB C 40.284 0.3 1 23 5 6 ASN N N 124.987 0.3 1 24 6 7 GLY C C 174.627 0.3 1 25 7 8 GLU H H 8.435 0.020 1 26 7 8 GLU C C 176.969 0.3 1 27 7 8 GLU CA C 56.194 0.3 1 28 7 8 GLU CB C 29.489 0.3 1 29 7 8 GLU N N 121.165 0.3 1 30 8 9 SER H H 8.387 0.020 1 31 8 9 SER C C 175.059 0.3 1 32 8 9 SER CA C 58.001 0.3 1 33 8 9 SER CB C 63.411 0.3 1 34 8 9 SER N N 117.251 0.3 1 35 9 10 SER CA C 58.413 0.3 1 36 10 11 SER H H 8.199 0.020 1 37 10 11 SER C C 174.821 0.3 1 38 10 11 SER CA C 58.232 0.3 1 39 10 11 SER CB C 63.034 0.3 1 40 10 11 SER N N 117.563 0.3 1 41 11 12 SER H H 8.120 0.020 1 42 11 12 SER C C 174.428 0.3 1 43 11 12 SER CA C 58.488 0.3 1 44 11 12 SER CB C 63.060 0.3 1 45 11 12 SER N N 117.491 0.3 1 46 12 13 TRP H H 7.476 0.020 1 47 12 13 TRP C C 175.387 0.3 1 48 12 13 TRP CA C 56.037 0.3 1 49 12 13 TRP CB C 28.643 0.3 1 50 12 13 TRP N N 120.607 0.3 1 51 13 14 LYS H H 7.349 0.020 1 52 13 14 LYS C C 175.457 0.3 1 53 13 14 LYS CA C 54.952 0.3 1 54 13 14 LYS CB C 32.153 0.3 1 55 13 14 LYS N N 121.091 0.3 1 56 14 15 LYS H H 8.122 0.020 1 57 14 15 LYS C C 175.958 0.3 1 58 14 15 LYS CA C 55.932 0.3 1 59 14 15 LYS CB C 33.074 0.3 1 60 14 15 LYS N N 125.057 0.3 1 61 15 16 GLN H H 8.516 0.020 1 62 15 16 GLN C C 176.107 0.3 1 63 15 16 GLN CA C 54.709 0.3 1 64 15 16 GLN CB C 29.030 0.3 1 65 15 16 GLN N N 121.575 0.3 1 66 16 17 ALA H H 8.615 0.020 1 67 16 17 ALA C C 175.622 0.3 1 68 16 17 ALA CA C 50.663 0.3 1 69 16 17 ALA CB C 20.012 0.3 1 70 16 17 ALA N N 126.136 0.3 1 71 17 18 GLU H H 8.493 0.020 1 72 17 18 GLU C C 176.558 0.3 1 73 17 18 GLU CA C 58.007 0.3 1 74 17 18 GLU CB C 29.134 0.3 1 75 17 18 GLU N N 122.678 0.3 1 76 18 19 ASP H H 7.750 0.020 1 77 18 19 ASP C C 177.837 0.3 1 78 18 19 ASP CA C 52.745 0.3 1 79 18 19 ASP CB C 41.537 0.3 1 80 18 19 ASP N N 115.905 0.3 1 81 19 20 ILE H H 9.256 0.020 1 82 19 20 ILE C C 176.191 0.3 1 83 19 20 ILE CA C 59.835 0.3 1 84 19 20 ILE CB C 38.303 0.3 1 85 19 20 ILE N N 129.928 0.3 1 86 20 21 LYS H H 8.016 0.020 1 87 20 21 LYS C C 177.579 0.3 1 88 20 21 LYS CA C 56.827 0.3 1 89 20 21 LYS CB C 29.817 0.3 1 90 20 21 LYS N N 121.551 0.3 1 91 21 22 LYS H H 7.404 0.020 1 92 21 22 LYS C C 176.828 0.3 1 93 21 22 LYS CA C 56.715 0.3 1 94 21 22 LYS CB C 31.716 0.3 1 95 21 22 LYS N N 115.869 0.3 1 96 22 23 ILE H H 7.294 0.020 1 97 22 23 ILE C C 176.227 0.3 1 98 22 23 ILE CA C 60.787 0.3 1 99 22 23 ILE CB C 38.127 0.3 1 100 22 23 ILE N N 117.589 0.3 1 101 23 24 PHE H H 7.983 0.020 1 102 23 24 PHE C C 173.681 0.3 1 103 23 24 PHE CA C 56.059 0.3 1 104 23 24 PHE CB C 43.051 0.3 1 105 23 24 PHE N N 118.392 0.3 1 106 24 25 GLU H H 9.067 0.020 1 107 24 25 GLU C C 176.320 0.3 1 108 24 25 GLU CA C 53.996 0.3 1 109 24 25 GLU CB C 30.774 0.3 1 110 24 25 GLU N N 120.078 0.3 1 111 25 26 PHE H H 9.015 0.020 1 112 25 26 PHE C C 176.041 0.3 1 113 25 26 PHE CA C 55.787 0.3 1 114 25 26 PHE CB C 36.617 0.3 1 115 25 26 PHE N N 128.879 0.3 1 116 26 27 LYS H H 9.116 0.020 1 117 26 27 LYS C C 175.781 0.3 1 118 26 27 LYS CA C 55.752 0.3 1 119 26 27 LYS CB C 31.458 0.3 1 120 26 27 LYS N N 124.959 0.3 1 121 27 28 GLU H H 7.767 0.020 1 122 27 28 GLU C C 175.030 0.3 1 123 27 28 GLU CA C 55.722 0.3 1 124 27 28 GLU CB C 30.953 0.3 1 125 27 28 GLU N N 117.485 0.3 1 126 28 29 THR H H 8.788 0.020 1 127 28 29 THR C C 174.244 0.3 1 128 28 29 THR CA C 63.646 0.3 1 129 28 29 THR CB C 68.674 0.3 1 130 28 29 THR N N 119.300 0.3 1 131 29 30 LEU H H 9.215 0.020 1 132 29 30 LEU C C 177.504 0.3 1 133 29 30 LEU CA C 54.690 0.3 1 134 29 30 LEU CB C 41.800 0.3 1 135 29 30 LEU N N 128.565 0.3 1 136 30 31 GLY H H 7.922 0.020 1 137 30 31 GLY C C 171.962 0.3 1 138 30 31 GLY CA C 45.106 0.3 1 139 30 31 GLY N N 107.977 0.3 1 140 31 32 THR H H 8.280 0.020 1 141 31 32 THR C C 173.973 0.3 1 142 31 32 THR CA C 60.944 0.3 1 143 31 32 THR CB C 70.526 0.3 1 144 31 32 THR N N 114.339 0.3 1 145 32 33 GLY H H 8.249 0.020 1 146 32 33 GLY C C 173.519 0.3 1 147 32 33 GLY CA C 43.813 0.3 1 148 32 33 GLY N N 112.484 0.3 1 149 33 34 ALA H H 8.453 0.020 1 150 33 34 ALA CA C 53.864 0.3 1 151 33 34 ALA CB C 17.976 0.3 1 152 33 34 ALA N N 123.970 0.3 1 153 35 36 SER C C 173.217 0.3 1 154 35 36 SER CA C 57.262 0.3 1 155 35 36 SER CB C 65.398 0.3 1 156 36 37 GLU H H 8.030 0.020 1 157 36 37 GLU C C 174.418 0.3 1 158 36 37 GLU CA C 55.090 0.3 1 159 36 37 GLU CB C 31.827 0.3 1 160 36 37 GLU N N 119.898 0.3 1 161 37 38 VAL H H 8.768 0.020 1 162 37 38 VAL C C 175.249 0.3 1 163 37 38 VAL CA C 60.568 0.3 1 164 37 38 VAL CB C 32.185 0.3 1 165 37 38 VAL N N 124.815 0.3 1 166 38 39 VAL H H 8.990 0.020 1 167 38 39 VAL C C 174.208 0.3 1 168 38 39 VAL CA C 58.829 0.3 1 169 38 39 VAL CB C 34.185 0.3 1 170 38 39 VAL N N 124.114 0.3 1 171 39 40 LEU H H 8.648 0.020 1 172 39 40 LEU C C 174.749 0.3 1 173 39 40 LEU CA C 54.737 0.3 1 174 39 40 LEU CB C 41.905 0.3 1 175 39 40 LEU N N 126.710 0.3 1 176 40 41 ALA H H 9.200 0.020 1 177 40 41 ALA C C 174.282 0.3 1 178 40 41 ALA CA C 49.729 0.3 1 179 40 41 ALA CB C 23.833 0.3 1 180 40 41 ALA N N 129.836 0.3 1 181 41 42 GLU H H 8.910 0.020 1 182 41 42 GLU C C 176.328 0.3 1 183 41 42 GLU CA C 53.233 0.3 1 184 41 42 GLU CB C 33.137 0.3 1 185 41 42 GLU N N 121.906 0.3 1 186 42 43 GLU H H 9.766 0.020 1 187 42 43 GLU C C 176.584 0.3 1 188 42 43 GLU CA C 55.924 0.3 1 189 42 43 GLU CB C 29.345 0.3 1 190 42 43 GLU N N 131.272 0.3 1 191 43 44 LYS H H 8.296 0.020 1 192 43 44 LYS C C 178.955 0.3 1 193 43 44 LYS CA C 59.929 0.3 1 194 43 44 LYS CB C 30.658 0.3 1 195 43 44 LYS N N 132.543 0.3 1 196 44 45 ALA H H 8.842 0.020 1 197 44 45 ALA C C 178.436 0.3 1 198 44 45 ALA CA C 53.928 0.3 1 199 44 45 ALA CB C 18.981 0.3 1 200 44 45 ALA N N 117.053 0.3 1 201 45 46 THR H H 7.006 0.020 1 202 45 46 THR C C 176.212 0.3 1 203 45 46 THR CA C 60.893 0.3 1 204 45 46 THR CB C 71.135 0.3 1 205 45 46 THR N N 102.381 0.3 1 206 46 47 GLY H H 8.705 0.020 1 207 46 47 GLY C C 173.750 0.3 1 208 46 47 GLY CA C 44.965 0.3 1 209 46 47 GLY N N 112.957 0.3 1 210 47 48 LYS H H 8.038 0.020 1 211 47 48 LYS C C 174.789 0.3 1 212 47 48 LYS CA C 56.742 0.3 1 213 47 48 LYS CB C 33.069 0.3 1 214 47 48 LYS N N 121.845 0.3 1 215 48 49 LEU H H 7.688 0.020 1 216 48 49 LEU C C 176.150 0.3 1 217 48 49 LEU CA C 53.140 0.3 1 218 48 49 LEU CB C 43.199 0.3 1 219 48 49 LEU N N 120.914 0.3 1 220 49 50 PHE H H 9.091 0.020 1 221 49 50 PHE C C 173.401 0.3 1 222 49 50 PHE CA C 57.154 0.3 1 223 49 50 PHE CB C 44.217 0.3 1 224 49 50 PHE N N 118.364 0.3 1 225 50 51 ALA H H 8.312 0.020 1 226 50 51 ALA C C 175.863 0.3 1 227 50 51 ALA CA C 50.138 0.3 1 228 50 51 ALA CB C 19.374 0.3 1 229 50 51 ALA N N 123.700 0.3 1 230 51 52 VAL H H 9.154 0.020 1 231 51 52 VAL C C 174.900 0.3 1 232 51 52 VAL CA C 60.235 0.3 1 233 51 52 VAL CB C 32.518 0.3 1 234 51 52 VAL N N 123.133 0.3 1 235 52 53 LYS H H 9.375 0.020 1 236 52 53 LYS C C 174.826 0.3 1 237 52 53 LYS CA C 54.956 0.3 1 238 52 53 LYS CB C 32.980 0.3 1 239 52 53 LYS N N 130.181 0.3 1 240 53 54 CYS H H 9.267 0.020 1 241 53 54 CYS C C 174.733 0.3 1 242 53 54 CYS CA C 56.790 0.3 1 243 53 54 CYS CB C 28.050 0.3 1 244 53 54 CYS N N 127.319 0.3 1 245 54 55 ILE H H 9.172 0.020 1 246 54 55 ILE C C 173.512 0.3 1 247 54 55 ILE CA C 57.640 0.3 1 248 54 55 ILE CB C 40.691 0.3 1 249 54 55 ILE N N 127.443 0.3 1 250 56 57 LYS C C 179.533 0.3 1 251 56 57 LYS CA C 59.371 0.3 1 252 56 57 LYS CB C 31.430 0.3 1 253 57 58 LYS H H 8.460 0.020 1 254 57 58 LYS C C 177.433 0.3 1 255 57 58 LYS CA C 58.231 0.3 1 256 57 58 LYS CB C 31.170 0.3 1 257 57 58 LYS N N 119.283 0.3 1 258 58 59 ALA H H 7.367 0.020 1 259 58 59 ALA C C 177.529 0.3 1 260 58 59 ALA CA C 52.520 0.3 1 261 58 59 ALA CB C 18.170 0.3 1 262 58 59 ALA N N 120.285 0.3 1 263 59 60 LEU H H 7.332 0.020 1 264 59 60 LEU C C 176.487 0.3 1 265 59 60 LEU CA C 53.644 0.3 1 266 59 60 LEU CB C 41.043 0.3 1 267 59 60 LEU N N 116.792 0.3 1 268 60 61 LYS H H 7.122 0.020 1 269 60 61 LYS C C 177.665 0.3 1 270 60 61 LYS CA C 57.129 0.3 1 271 60 61 LYS CB C 31.378 0.3 1 272 60 61 LYS N N 120.233 0.3 1 273 61 62 GLY H H 8.786 0.020 1 274 61 62 GLY C C 174.516 0.3 1 275 61 62 GLY CA C 45.005 0.3 1 276 61 62 GLY N N 114.605 0.3 1 277 62 63 LYS H H 7.743 0.020 1 278 62 63 LYS CA C 56.879 0.3 1 279 62 63 LYS CB C 32.759 0.3 1 280 62 63 LYS N N 126.300 0.3 1 281 66 67 ILE CA C 61.152 0.3 1 282 66 67 ILE CB C 37.729 0.3 1 283 67 68 GLU H H 7.814 0.020 1 284 67 68 GLU CA C 59.063 0.3 1 285 67 68 GLU CB C 28.935 0.3 1 286 67 68 GLU N N 120.631 0.3 1 287 70 71 ILE CA C 61.177 0.3 1 288 71 72 ALA H H 7.945 0.020 1 289 71 72 ALA C C 179.396 0.3 1 290 71 72 ALA CA C 54.424 0.3 1 291 71 72 ALA CB C 16.646 0.3 1 292 71 72 ALA N N 122.971 0.3 1 293 72 73 VAL H H 6.866 0.020 1 294 72 73 VAL C C 177.515 0.3 1 295 72 73 VAL CA C 59.143 0.3 1 296 72 73 VAL CB C 31.221 0.3 1 297 72 73 VAL N N 115.034 0.3 1 298 73 74 LEU H H 7.912 0.020 1 299 73 74 LEU C C 177.404 0.3 1 300 73 74 LEU CA C 57.315 0.3 1 301 73 74 LEU CB C 42.915 0.3 1 302 73 74 LEU N N 119.064 0.3 1 303 77 78 LYS C C 172.981 0.3 1 304 78 79 HIS H H 8.988 0.020 1 305 78 79 HIS C C 175.213 0.3 1 306 78 79 HIS CA C 57.293 0.3 1 307 78 79 HIS CB C 33.729 0.3 1 308 78 79 HIS N N 126.128 0.3 1 309 79 80 GLU H H 7.911 0.020 1 310 79 80 GLU C C 176.612 0.3 1 311 79 80 GLU CA C 58.396 0.3 1 312 79 80 GLU CB C 29.403 0.3 1 313 79 80 GLU N N 126.583 0.3 1 314 80 81 ASN H H 11.519 0.020 1 315 80 81 ASN C C 173.722 0.3 1 316 80 81 ASN CA C 53.852 0.3 1 317 80 81 ASN CB C 39.861 0.3 1 318 80 81 ASN N N 119.225 0.3 1 319 81 82 ILE H H 7.709 0.020 1 320 81 82 ILE C C 175.414 0.3 1 321 81 82 ILE CA C 61.089 0.3 1 322 81 82 ILE CB C 40.500 0.3 1 323 81 82 ILE N N 118.802 0.3 1 324 82 83 VAL CA C 61.793 0.3 1 325 82 83 VAL CB C 31.827 0.3 1 326 83 84 ALA H H 8.185 0.020 1 327 83 84 ALA CA C 52.577 0.3 1 328 83 84 ALA CB C 18.304 0.3 1 329 83 84 ALA N N 125.802 0.3 1 330 85 86 GLU C C 176.760 0.3 1 331 85 86 GLU CA C 57.025 0.3 1 332 85 86 GLU CB C 29.678 0.3 1 333 86 87 ASP H H 8.015 0.020 1 334 86 87 ASP C C 173.982 0.3 1 335 86 87 ASP CA C 53.239 0.3 1 336 86 87 ASP CB C 45.639 0.3 1 337 86 87 ASP N N 116.869 0.3 1 338 87 88 ILE H H 8.603 0.020 1 339 87 88 ILE C C 174.198 0.3 1 340 87 88 ILE CA C 60.390 0.3 1 341 87 88 ILE CB C 40.637 0.3 1 342 87 88 ILE N N 118.345 0.3 1 343 88 89 TYR H H 9.104 0.020 1 344 88 89 TYR C C 174.601 0.3 1 345 88 89 TYR CA C 55.774 0.3 1 346 88 89 TYR CB C 43.116 0.3 1 347 88 89 TYR N N 123.689 0.3 1 348 89 90 GLU H H 9.217 0.020 1 349 89 90 GLU C C 174.217 0.3 1 350 89 90 GLU CA C 54.737 0.3 1 351 89 90 GLU CB C 32.554 0.3 1 352 89 90 GLU N N 121.630 0.3 1 353 90 91 SER H H 9.468 0.020 1 354 90 91 SER C C 173.767 0.3 1 355 90 91 SER CA C 56.171 0.3 1 356 90 91 SER CB C 64.901 0.3 1 357 90 91 SER N N 127.001 0.3 1 358 91 92 PRO C C 177.431 0.3 1 359 92 93 ASN H H 8.201 0.020 1 360 92 93 ASN C C 175.503 0.3 1 361 92 93 ASN CA C 52.700 0.3 1 362 92 93 ASN CB C 40.695 0.3 1 363 92 93 ASN N N 108.322 0.3 1 364 93 94 HIS H H 8.079 0.020 1 365 93 94 HIS C C 172.268 0.3 1 366 93 94 HIS CA C 57.243 0.3 1 367 93 94 HIS CB C 34.299 0.3 1 368 93 94 HIS N N 121.586 0.3 1 369 94 95 LEU H H 8.869 0.020 1 370 94 95 LEU C C 174.316 0.3 1 371 94 95 LEU CA C 53.417 0.3 1 372 94 95 LEU CB C 45.029 0.3 1 373 94 95 LEU N N 120.928 0.3 1 374 95 96 TYR H H 9.277 0.020 1 375 95 96 TYR C C 174.787 0.3 1 376 95 96 TYR CA C 56.024 0.3 1 377 95 96 TYR CB C 39.002 0.3 1 378 95 96 TYR N N 120.338 0.3 1 379 96 97 LEU H H 9.192 0.020 1 380 96 97 LEU C C 174.719 0.3 1 381 96 97 LEU CA C 53.788 0.3 1 382 96 97 LEU CB C 40.718 0.3 1 383 96 97 LEU N N 124.497 0.3 1 384 97 98 VAL H H 8.767 0.020 1 385 97 98 VAL C C 173.931 0.3 1 386 97 98 VAL CA C 62.554 0.3 1 387 97 98 VAL CB C 30.064 0.3 1 388 97 98 VAL N N 126.159 0.3 1 389 98 99 MET H H 9.446 0.020 1 390 98 99 MET C C 173.767 0.3 1 391 98 99 MET CA C 53.217 0.3 1 392 98 99 MET CB C 33.769 0.3 1 393 98 99 MET N N 127.409 0.3 1 394 102 103 SER C C 175.019 0.3 1 395 102 103 SER CA C 57.956 0.3 1 396 102 103 SER CB C 64.269 0.3 1 397 103 104 GLY H H 7.608 0.020 1 398 103 104 GLY C C 173.835 0.3 1 399 103 104 GLY CA C 45.776 0.3 1 400 103 104 GLY N N 109.868 0.3 1 401 104 105 GLY H H 8.189 0.020 1 402 104 105 GLY C C 172.396 0.3 1 403 104 105 GLY CA C 43.363 0.3 1 404 104 105 GLY N N 109.460 0.3 1 405 105 106 GLU H H 8.561 0.020 1 406 105 106 GLU C C 177.924 0.3 1 407 105 106 GLU CA C 56.213 0.3 1 408 105 106 GLU CB C 30.070 0.3 1 409 105 106 GLU N N 117.915 0.3 1 410 106 107 LEU H H 8.070 0.020 1 411 106 107 LEU C C 178.455 0.3 1 412 106 107 LEU CA C 58.335 0.3 1 413 106 107 LEU CB C 41.428 0.3 1 414 106 107 LEU N N 123.450 0.3 1 415 107 108 PHE H H 8.798 0.020 1 416 107 108 PHE C C 178.128 0.3 1 417 107 108 PHE CA C 58.005 0.3 1 418 107 108 PHE CB C 36.321 0.3 1 419 107 108 PHE N N 114.970 0.3 1 420 108 109 ASP H H 7.169 0.020 1 421 108 109 ASP C C 178.048 0.3 1 422 108 109 ASP CA C 57.147 0.3 1 423 108 109 ASP CB C 39.975 0.3 1 424 108 109 ASP N N 117.784 0.3 1 425 109 110 ARG H H 7.432 0.020 1 426 109 110 ARG C C 179.444 0.3 1 427 109 110 ARG CA C 56.734 0.3 1 428 109 110 ARG CB C 28.339 0.3 1 429 109 110 ARG N N 118.027 0.3 1 430 110 111 ILE H H 7.744 0.020 1 431 110 111 ILE C C 178.533 0.3 1 432 110 111 ILE CA C 64.852 0.3 1 433 110 111 ILE CB C 36.809 0.3 1 434 110 111 ILE N N 118.789 0.3 1 435 111 112 VAL CA C 66.352 0.3 1 436 111 112 VAL CB C 30.813 0.3 1 437 112 113 GLU H H 7.503 0.020 1 438 112 113 GLU CA C 56.710 0.3 1 439 112 113 GLU CB C 29.561 0.3 1 440 112 113 GLU N N 117.157 0.3 1 441 113 114 LYS H H 7.387 0.020 1 442 113 114 LYS C C 177.056 0.3 1 443 113 114 LYS CA C 58.247 0.3 1 444 113 114 LYS CB C 33.057 0.3 1 445 113 114 LYS N N 120.316 0.3 1 446 114 115 GLY H H 6.844 0.020 1 447 114 115 GLY C C 172.530 0.3 1 448 114 115 GLY CA C 45.133 0.3 1 449 114 115 GLY N N 104.228 0.3 1 450 115 116 PHE H H 6.977 0.020 1 451 115 116 PHE C C 173.693 0.3 1 452 115 116 PHE CA C 56.835 0.3 1 453 115 116 PHE CB C 40.750 0.3 1 454 115 116 PHE N N 120.808 0.3 1 455 116 117 TYR H H 8.055 0.020 1 456 116 117 TYR C C 172.305 0.3 1 457 116 117 TYR CA C 57.269 0.3 1 458 116 117 TYR CB C 41.784 0.3 1 459 116 117 TYR N N 129.204 0.3 1 460 117 118 THR H H 8.533 0.020 1 461 117 118 THR C C 174.685 0.3 1 462 117 118 THR CA C 58.544 0.3 1 463 117 118 THR CB C 73.374 0.3 1 464 117 118 THR N N 118.063 0.3 1 465 118 119 GLU H H 9.711 0.020 1 466 118 119 GLU C C 178.429 0.3 1 467 118 119 GLU CA C 59.437 0.3 1 468 118 119 GLU CB C 30.037 0.3 1 469 118 119 GLU N N 119.972 0.3 1 470 119 120 LYS H H 7.962 0.020 1 471 119 120 LYS C C 179.175 0.3 1 472 119 120 LYS CA C 58.832 0.3 1 473 119 120 LYS CB C 30.523 0.3 1 474 119 120 LYS N N 119.326 0.3 1 475 120 121 ASP H H 7.471 0.020 1 476 120 121 ASP C C 178.751 0.3 1 477 120 121 ASP CA C 57.385 0.3 1 478 120 121 ASP CB C 40.753 0.3 1 479 120 121 ASP N N 121.375 0.3 1 480 121 122 ALA H H 7.363 0.020 1 481 121 122 ALA C C 178.454 0.3 1 482 121 122 ALA CA C 55.305 0.3 1 483 121 122 ALA CB C 17.891 0.3 1 484 121 122 ALA N N 123.728 0.3 1 485 122 123 SER H H 8.471 0.020 1 486 122 123 SER C C 176.160 0.3 1 487 122 123 SER CA C 60.179 0.3 1 488 122 123 SER CB C 60.859 0.3 1 489 122 123 SER N N 113.858 0.3 1 490 123 124 THR H H 7.825 0.020 1 491 123 124 THR C C 177.286 0.3 1 492 123 124 THR CA C 66.096 0.3 1 493 123 124 THR CB C 68.483 0.3 1 494 123 124 THR N N 116.940 0.3 1 495 124 125 LEU H H 7.457 0.020 1 496 124 125 LEU C C 178.635 0.3 1 497 124 125 LEU CA C 58.075 0.3 1 498 124 125 LEU CB C 41.617 0.3 1 499 124 125 LEU N N 123.300 0.3 1 500 125 126 ILE H H 8.394 0.020 1 501 125 126 ILE C C 177.594 0.3 1 502 125 126 ILE CA C 61.351 0.3 1 503 125 126 ILE CB C 34.016 0.3 1 504 125 126 ILE N N 119.052 0.3 1 505 126 127 ARG H H 9.112 0.020 1 506 126 127 ARG C C 178.597 0.3 1 507 126 127 ARG CA C 60.180 0.3 1 508 126 127 ARG CB C 28.985 0.3 1 509 126 127 ARG N N 122.190 0.3 1 510 127 128 GLN H H 7.026 0.020 1 511 127 128 GLN C C 177.578 0.3 1 512 127 128 GLN CA C 58.832 0.3 1 513 127 128 GLN CB C 30.301 0.3 1 514 127 128 GLN N N 117.457 0.3 1 515 128 129 VAL H H 7.490 0.020 1 516 128 129 VAL C C 177.629 0.3 1 517 128 129 VAL CA C 66.569 0.3 1 518 128 129 VAL CB C 30.675 0.3 1 519 128 129 VAL N N 118.829 0.3 1 520 129 130 LEU H H 9.101 0.020 1 521 129 130 LEU C C 178.445 0.3 1 522 129 130 LEU CA C 57.608 0.3 1 523 129 130 LEU CB C 41.994 0.3 1 524 129 130 LEU N N 118.384 0.3 1 525 130 131 ASP H H 7.859 0.020 1 526 130 131 ASP C C 178.583 0.3 1 527 130 131 ASP CA C 57.467 0.3 1 528 130 131 ASP CB C 41.373 0.3 1 529 130 131 ASP N N 120.032 0.3 1 530 131 132 ALA H H 7.754 0.020 1 531 131 132 ALA C C 178.634 0.3 1 532 131 132 ALA CA C 54.081 0.3 1 533 131 132 ALA CB C 18.740 0.3 1 534 131 132 ALA N N 121.891 0.3 1 535 132 133 VAL H H 8.658 0.020 1 536 132 133 VAL C C 176.413 0.3 1 537 132 133 VAL CA C 65.917 0.3 1 538 132 133 VAL CB C 29.402 0.3 1 539 132 133 VAL N N 117.882 0.3 1 540 133 134 TYR H H 8.895 0.020 1 541 133 134 TYR C C 177.573 0.3 1 542 133 134 TYR CA C 58.999 0.3 1 543 133 134 TYR CB C 37.202 0.3 1 544 133 134 TYR N N 122.253 0.3 1 545 134 135 TYR H H 7.484 0.020 1 546 134 135 TYR C C 177.276 0.3 1 547 134 135 TYR CA C 61.365 0.3 1 548 134 135 TYR CB C 37.078 0.3 1 549 134 135 TYR N N 119.700 0.3 1 550 135 136 LEU H H 7.785 0.020 1 551 135 136 LEU C C 179.489 0.3 1 552 135 136 LEU CA C 57.777 0.3 1 553 135 136 LEU CB C 39.142 0.3 1 554 135 136 LEU N N 119.954 0.3 1 555 136 137 HIS H H 9.407 0.020 1 556 136 137 HIS C C 181.194 0.3 1 557 136 137 HIS CA C 57.810 0.3 1 558 136 137 HIS CB C 30.768 0.3 1 559 136 137 HIS N N 121.229 0.3 1 560 137 138 ARG H H 8.611 0.020 1 561 137 138 ARG C C 178.444 0.3 1 562 137 138 ARG CA C 58.874 0.3 1 563 137 138 ARG CB C 28.935 0.3 1 564 137 138 ARG N N 122.507 0.3 1 565 138 139 MET H H 7.494 0.020 1 566 138 139 MET C C 176.078 0.3 1 567 138 139 MET CA C 54.574 0.3 1 568 138 139 MET CB C 31.880 0.3 1 569 138 139 MET N N 117.318 0.3 1 570 139 140 GLY H H 7.888 0.020 1 571 139 140 GLY C C 173.779 0.3 1 572 139 140 GLY CA C 45.365 0.3 1 573 139 140 GLY N N 108.330 0.3 1 574 140 141 ILE H H 8.218 0.020 1 575 140 141 ILE C C 173.316 0.3 1 576 140 141 ILE CA C 59.830 0.3 1 577 140 141 ILE CB C 38.579 0.3 1 578 140 141 ILE N N 124.395 0.3 1 579 141 142 VAL C C 177.955 0.3 1 580 141 142 VAL CA C 61.636 0.3 1 581 141 142 VAL CB C 30.718 0.3 1 582 142 143 HIS H H 8.178 0.020 1 583 142 143 HIS C C 179.558 0.3 1 584 142 143 HIS CA C 59.492 0.3 1 585 142 143 HIS CB C 31.272 0.3 1 586 142 143 HIS N N 125.529 0.3 1 587 144 145 ASP C C 175.437 0.3 1 588 144 145 ASP CA C 52.859 0.3 1 589 144 145 ASP CB C 42.609 0.3 1 590 145 146 LEU H H 8.476 0.020 1 591 145 146 LEU C C 175.209 0.3 1 592 145 146 LEU CA C 55.833 0.3 1 593 145 146 LEU CB C 40.770 0.3 1 594 145 146 LEU N N 123.702 0.3 1 595 147 148 PRO C C 176.963 0.3 1 596 148 149 GLU H H 9.586 0.020 1 597 148 149 GLU C C 176.262 0.3 1 598 148 149 GLU CA C 58.635 0.3 1 599 148 149 GLU CB C 28.193 0.3 1 600 148 149 GLU N N 114.802 0.3 1 601 149 150 ASN H H 7.338 0.020 1 602 149 150 ASN C C 173.285 0.3 1 603 149 150 ASN CA C 51.914 0.3 1 604 149 150 ASN CB C 38.440 0.3 1 605 149 150 ASN N N 114.986 0.3 1 606 150 151 LEU H H 7.289 0.020 1 607 150 151 LEU C C 173.585 0.3 1 608 150 151 LEU CA C 53.144 0.3 1 609 150 151 LEU CB C 40.649 0.3 1 610 150 151 LEU N N 121.731 0.3 1 611 151 152 LEU H H 8.286 0.020 1 612 151 152 LEU C C 177.043 0.3 1 613 151 152 LEU CA C 51.915 0.3 1 614 151 152 LEU CB C 45.572 0.3 1 615 151 152 LEU N N 121.399 0.3 1 616 152 153 TYR H H 8.822 0.020 1 617 152 153 TYR C C 176.174 0.3 1 618 152 153 TYR CA C 58.998 0.3 1 619 152 153 TYR CB C 38.171 0.3 1 620 152 153 TYR N N 120.307 0.3 1 621 153 154 TYR H H 7.954 0.020 1 622 153 154 TYR C C 175.634 0.3 1 623 153 154 TYR CA C 60.611 0.3 1 624 153 154 TYR CB C 39.038 0.3 1 625 153 154 TYR N N 121.624 0.3 1 626 154 155 SER H H 9.348 0.020 1 627 154 155 SER C C 173.921 0.3 1 628 154 155 SER CA C 56.033 0.3 1 629 154 155 SER CB C 66.171 0.3 1 630 154 155 SER N N 113.812 0.3 1 631 155 156 GLN H H 8.621 0.020 1 632 155 156 GLN C C 175.302 0.3 1 633 155 156 GLN CA C 56.321 0.3 1 634 155 156 GLN CB C 27.802 0.3 1 635 155 156 GLN N N 118.015 0.3 1 636 156 157 ASP H H 7.862 0.020 1 637 156 157 ASP C C 177.625 0.3 1 638 156 157 ASP CA C 54.510 0.3 1 639 156 157 ASP CB C 41.188 0.3 1 640 156 157 ASP N N 119.548 0.3 1 641 157 158 GLU H H 8.947 0.020 1 642 157 158 GLU C C 177.863 0.3 1 643 157 158 GLU CA C 58.693 0.3 1 644 157 158 GLU CB C 28.872 0.3 1 645 157 158 GLU N N 125.785 0.3 1 646 158 159 GLU H H 8.625 0.020 1 647 158 159 GLU C C 175.745 0.3 1 648 158 159 GLU CA C 55.190 0.3 1 649 158 159 GLU CB C 27.817 0.3 1 650 158 159 GLU N N 117.492 0.3 1 651 159 160 SER H H 7.236 0.020 1 652 159 160 SER C C 175.366 0.3 1 653 159 160 SER CA C 58.151 0.3 1 654 159 160 SER CB C 64.403 0.3 1 655 159 160 SER N N 113.430 0.3 1 656 160 161 LYS H H 8.485 0.020 1 657 160 161 LYS C C 175.787 0.3 1 658 160 161 LYS CA C 55.818 0.3 1 659 160 161 LYS CB C 32.820 0.3 1 660 160 161 LYS N N 126.337 0.3 1 661 161 162 ILE H H 8.271 0.020 1 662 161 162 ILE C C 172.713 0.3 1 663 161 162 ILE CA C 56.289 0.3 1 664 161 162 ILE CB C 40.379 0.3 1 665 161 162 ILE N N 122.157 0.3 1 666 162 163 MET H H 8.765 0.020 1 667 162 163 MET C C 175.759 0.3 1 668 162 163 MET CA C 52.316 0.3 1 669 162 163 MET CB C 34.877 0.3 1 670 162 163 MET N N 120.235 0.3 1 671 163 164 ILE H H 8.713 0.020 1 672 163 164 ILE C C 176.519 0.3 1 673 163 164 ILE CA C 61.638 0.3 1 674 163 164 ILE CB C 37.431 0.3 1 675 163 164 ILE N N 121.189 0.3 1 676 169 170 SER C C 179.850 0.3 1 677 169 170 SER CA C 61.571 0.3 1 678 170 171 LYS H H 8.052 0.020 1 679 170 171 LYS C C 176.796 0.3 1 680 170 171 LYS CA C 57.744 0.3 1 681 170 171 LYS CB C 29.442 0.3 1 682 170 171 LYS N N 115.940 0.3 1 683 171 172 MET H H 7.491 0.020 1 684 171 172 MET C C 177.342 0.3 1 685 171 172 MET CA C 55.889 0.3 1 686 171 172 MET CB C 32.443 0.3 1 687 171 172 MET N N 117.066 0.3 1 688 172 173 GLU C C 174.534 0.3 1 689 172 173 GLU CA C 57.757 0.3 1 690 172 173 GLU CB C 28.147 0.3 1 691 173 174 GLY H H 8.212 0.020 1 692 173 174 GLY C C 173.746 0.3 1 693 173 174 GLY CA C 44.691 0.3 1 694 173 174 GLY N N 110.802 0.3 1 695 174 175 LYS C C 177.081 0.3 1 696 174 175 LYS CA C 55.858 0.3 1 697 174 175 LYS CB C 31.977 0.3 1 698 175 176 GLY H H 8.407 0.020 1 699 175 176 GLY C C 173.769 0.3 1 700 175 176 GLY CA C 44.942 0.3 1 701 175 176 GLY N N 110.252 0.3 1 702 176 177 ASP H H 8.137 0.020 1 703 176 177 ASP C C 176.356 0.3 1 704 176 177 ASP CA C 53.825 0.3 1 705 176 177 ASP CB C 40.734 0.3 1 706 176 177 ASP N N 120.890 0.3 1 707 177 178 VAL H H 8.054 0.020 1 708 177 178 VAL CA C 62.032 0.3 1 709 177 178 VAL CB C 31.934 0.3 1 710 177 178 VAL N N 120.212 0.3 1 711 182 183 CYS C C 177.119 0.3 1 712 183 184 GLY H H 8.592 0.020 1 713 183 184 GLY C C 174.289 0.3 1 714 183 184 GLY CA C 44.916 0.3 1 715 183 184 GLY N N 109.781 0.3 1 716 184 185 THR H H 8.792 0.020 1 717 184 185 THR C C 174.732 0.3 1 718 184 185 THR CA C 57.751 0.3 1 719 184 185 THR CB C 65.427 0.3 1 720 184 185 THR N N 118.044 0.3 1 721 187 188 TYR C C 175.311 0.3 1 722 187 188 TYR CA C 56.872 0.3 1 723 187 188 TYR CB C 38.574 0.3 1 724 188 189 VAL H H 7.436 0.020 1 725 188 189 VAL C C 173.428 0.3 1 726 188 189 VAL CA C 61.249 0.3 1 727 188 189 VAL CB C 32.116 0.3 1 728 188 189 VAL N N 121.202 0.3 1 729 189 190 ALA H H 7.597 0.020 1 730 189 190 ALA C C 175.899 0.3 1 731 189 190 ALA CA C 49.095 0.3 1 732 189 190 ALA CB C 17.539 0.3 1 733 189 190 ALA N N 125.163 0.3 1 734 190 191 PRO C C 178.193 0.3 1 735 190 191 PRO CA C 64.524 0.3 1 736 190 191 PRO CB C 30.560 0.3 1 737 191 192 GLU H H 9.808 0.020 1 738 191 192 GLU C C 177.131 0.3 1 739 191 192 GLU CA C 58.496 0.3 1 740 191 192 GLU CB C 25.544 0.3 1 741 191 192 GLU N N 115.450 0.3 1 742 192 193 VAL H H 6.906 0.020 1 743 192 193 VAL C C 180.729 0.3 1 744 192 193 VAL CA C 64.434 0.3 1 745 192 193 VAL CB C 30.233 0.3 1 746 192 193 VAL N N 120.984 0.3 1 747 193 194 LEU H H 6.843 0.020 1 748 193 194 LEU C C 178.388 0.3 1 749 193 194 LEU CA C 56.758 0.3 1 750 193 194 LEU CB C 39.166 0.3 1 751 193 194 LEU N N 121.679 0.3 1 752 194 195 ALA H H 7.745 0.020 1 753 194 195 ALA C C 175.713 0.3 1 754 194 195 ALA CA C 51.543 0.3 1 755 194 195 ALA CB C 17.945 0.3 1 756 194 195 ALA N N 119.203 0.3 1 757 195 196 GLN H H 7.699 0.020 1 758 195 196 GLN C C 175.297 0.3 1 759 195 196 GLN CA C 56.362 0.3 1 760 195 196 GLN CB C 24.729 0.3 1 761 195 196 GLN N N 112.920 0.3 1 762 196 197 LYS H H 7.859 0.020 1 763 196 197 LYS C C 173.996 0.3 1 764 196 197 LYS CA C 53.227 0.3 1 765 196 197 LYS CB C 30.689 0.3 1 766 196 197 LYS N N 119.474 0.3 1 767 197 198 PRO C C 176.455 0.3 1 768 197 198 PRO CA C 62.574 0.3 1 769 197 198 PRO CB C 30.945 0.3 1 770 198 199 TYR H H 7.880 0.020 1 771 198 199 TYR C C 174.228 0.3 1 772 198 199 TYR CA C 56.803 0.3 1 773 198 199 TYR CB C 39.190 0.3 1 774 198 199 TYR N N 119.098 0.3 1 775 200 201 LYS C C 175.744 0.3 1 776 200 201 LYS CA C 58.835 0.3 1 777 200 201 LYS CB C 30.474 0.3 1 778 201 202 ALA H H 7.905 0.020 1 779 201 202 ALA C C 182.667 0.3 1 780 201 202 ALA CA C 54.293 0.3 1 781 201 202 ALA CB C 18.427 0.3 1 782 201 202 ALA N N 120.871 0.3 1 783 202 203 VAL H H 8.370 0.020 1 784 202 203 VAL C C 178.558 0.3 1 785 202 203 VAL CA C 65.139 0.3 1 786 202 203 VAL CB C 33.249 0.3 1 787 202 203 VAL N N 118.324 0.3 1 788 203 204 ASP H H 7.772 0.020 1 789 203 204 ASP C C 178.123 0.3 1 790 203 204 ASP CA C 56.485 0.3 1 791 203 204 ASP CB C 40.652 0.3 1 792 203 204 ASP N N 121.553 0.3 1 793 204 205 CYS H H 7.209 0.020 1 794 204 205 CYS C C 175.757 0.3 1 795 204 205 CYS CA C 63.295 0.3 1 796 204 205 CYS CB C 26.545 0.3 1 797 204 205 CYS N N 119.245 0.3 1 798 206 207 SER H H 7.857 0.020 1 799 206 207 SER C C 175.971 0.3 1 800 206 207 SER CA C 62.962 0.3 1 801 206 207 SER CB C 66.611 0.3 1 802 206 207 SER N N 113.580 0.3 1 803 207 208 ILE H H 7.951 0.020 1 804 207 208 ILE C C 176.808 0.3 1 805 207 208 ILE CA C 65.913 0.3 1 806 207 208 ILE CB C 36.749 0.3 1 807 207 208 ILE N N 120.456 0.3 1 808 208 209 GLY H H 7.648 0.020 1 809 208 209 GLY C C 173.185 0.3 1 810 208 209 GLY CA C 48.149 0.3 1 811 208 209 GLY N N 108.906 0.3 1 812 209 210 VAL H H 7.635 0.020 1 813 209 210 VAL C C 178.236 0.3 1 814 209 210 VAL CA C 65.920 0.3 1 815 209 210 VAL CB C 30.711 0.3 1 816 209 210 VAL N N 121.960 0.3 1 817 210 211 ILE H H 8.098 0.020 1 818 210 211 ILE C C 177.042 0.3 1 819 210 211 ILE CA C 65.794 0.3 1 820 210 211 ILE CB C 37.123 0.3 1 821 210 211 ILE N N 118.814 0.3 1 822 211 212 ALA H H 8.631 0.020 1 823 211 212 ALA C C 176.959 0.3 1 824 211 212 ALA CA C 55.693 0.3 1 825 211 212 ALA CB C 17.088 0.3 1 826 211 212 ALA N N 121.680 0.3 1 827 213 214 ILE C C 179.222 0.3 1 828 213 214 ILE CA C 64.857 0.3 1 829 213 214 ILE CB C 40.066 0.3 1 830 214 215 LEU H H 8.727 0.020 1 831 214 215 LEU C C 177.874 0.3 1 832 214 215 LEU CA C 56.553 0.3 1 833 214 215 LEU CB C 40.373 0.3 1 834 214 215 LEU N N 118.699 0.3 1 835 215 216 LEU H H 7.100 0.020 1 836 215 216 LEU C C 175.259 0.3 1 837 215 216 LEU CA C 53.797 0.3 1 838 215 216 LEU CB C 41.651 0.3 1 839 215 216 LEU N N 115.379 0.3 1 840 216 217 CYS C C 174.223 0.3 1 841 217 218 GLY H H 9.433 0.020 1 842 217 218 GLY C C 170.480 0.3 1 843 217 218 GLY CA C 45.960 0.3 1 844 217 218 GLY N N 115.601 0.3 1 845 218 219 TYR H H 7.796 0.020 1 846 218 219 TYR C C 170.653 0.3 1 847 218 219 TYR CA C 53.452 0.3 1 848 218 219 TYR CB C 37.968 0.3 1 849 218 219 TYR N N 116.754 0.3 1 850 220 221 PRO C C 175.372 0.3 1 851 220 221 PRO CA C 63.986 0.3 1 852 221 222 PHE H H 6.937 0.020 1 853 221 222 PHE C C 174.961 0.3 1 854 221 222 PHE CA C 54.713 0.3 1 855 221 222 PHE CB C 40.199 0.3 1 856 221 222 PHE N N 114.085 0.3 1 857 222 223 TYR H H 8.857 0.020 1 858 222 223 TYR C C 173.129 0.3 1 859 222 223 TYR CA C 60.245 0.3 1 860 222 223 TYR CB C 39.909 0.3 1 861 222 223 TYR N N 123.049 0.3 1 862 223 224 ASP H H 6.656 0.020 1 863 223 224 ASP C C 173.822 0.3 1 864 223 224 ASP CA C 54.233 0.3 1 865 223 224 ASP CB C 44.693 0.3 1 866 223 224 ASP N N 126.639 0.3 1 867 224 225 GLU H H 8.485 0.020 1 868 224 225 GLU C C 175.682 0.3 1 869 224 225 GLU CA C 57.639 0.3 1 870 224 225 GLU CB C 28.884 0.3 1 871 224 225 GLU N N 124.081 0.3 1 872 225 226 ASN H H 9.566 0.020 1 873 225 226 ASN C C 175.104 0.3 1 874 225 226 ASN CA C 51.894 0.3 1 875 225 226 ASN CB C 39.157 0.3 1 876 225 226 ASN N N 120.783 0.3 1 877 226 227 ASP H H 8.675 0.020 1 878 226 227 ASP C C 177.346 0.3 1 879 226 227 ASP CA C 57.247 0.3 1 880 226 227 ASP CB C 39.800 0.3 1 881 226 227 ASP N N 126.762 0.3 1 882 227 228 SER H H 8.053 0.020 1 883 227 228 SER C C 176.961 0.3 1 884 227 228 SER CA C 61.373 0.3 1 885 227 228 SER N N 115.330 0.3 1 886 228 229 LYS H H 7.555 0.020 1 887 228 229 LYS C C 178.856 0.3 1 888 228 229 LYS CA C 57.771 0.3 1 889 228 229 LYS CB C 30.739 0.3 1 890 228 229 LYS N N 123.326 0.3 1 891 229 230 LEU H H 7.969 0.020 1 892 229 230 LEU C C 177.709 0.3 1 893 229 230 LEU CA C 57.688 0.3 1 894 229 230 LEU CB C 40.312 0.3 1 895 229 230 LEU N N 122.527 0.3 1 896 230 231 PHE H H 8.029 0.020 1 897 230 231 PHE C C 177.039 0.3 1 898 230 231 PHE CA C 60.062 0.3 1 899 230 231 PHE CB C 37.658 0.3 1 900 230 231 PHE N N 117.573 0.3 1 901 231 232 GLU H H 7.430 0.020 1 902 231 232 GLU C C 178.649 0.3 1 903 231 232 GLU CA C 58.901 0.3 1 904 231 232 GLU CB C 28.949 0.3 1 905 231 232 GLU N N 116.634 0.3 1 906 232 233 GLN H H 7.898 0.020 1 907 232 233 GLN C C 178.791 0.3 1 908 232 233 GLN CA C 58.705 0.3 1 909 232 233 GLN CB C 28.281 0.3 1 910 232 233 GLN N N 118.991 0.3 1 911 233 234 ILE H H 7.725 0.020 1 912 233 234 ILE C C 177.835 0.3 1 913 233 234 ILE CA C 65.001 0.3 1 914 233 234 ILE CB C 36.758 0.3 1 915 233 234 ILE N N 121.068 0.3 1 916 234 235 LEU H H 7.750 0.020 1 917 234 235 LEU C C 179.350 0.3 1 918 234 235 LEU CA C 57.422 0.3 1 919 234 235 LEU CB C 41.206 0.3 1 920 234 235 LEU N N 117.348 0.3 1 921 235 236 LYS H H 7.314 0.020 1 922 235 236 LYS C C 176.383 0.3 1 923 235 236 LYS CA C 56.750 0.3 1 924 235 236 LYS CB C 32.292 0.3 1 925 235 236 LYS N N 114.898 0.3 1 926 236 237 ALA H H 8.186 0.020 1 927 236 237 ALA C C 175.089 0.3 1 928 236 237 ALA CA C 53.020 0.3 1 929 236 237 ALA CB C 17.305 0.3 1 930 236 237 ALA N N 122.729 0.3 1 931 237 238 GLU H H 8.274 0.020 1 932 237 238 GLU C C 174.300 0.3 1 933 237 238 GLU CA C 55.478 0.3 1 934 237 238 GLU CB C 29.422 0.3 1 935 237 238 GLU N N 119.830 0.3 1 936 238 239 TYR H H 7.298 0.020 1 937 238 239 TYR C C 172.674 0.3 1 938 238 239 TYR CA C 55.042 0.3 1 939 238 239 TYR CB C 38.776 0.3 1 940 238 239 TYR N N 120.378 0.3 1 941 239 240 GLU H H 8.311 0.020 1 942 239 240 GLU C C 174.168 0.3 1 943 239 240 GLU CA C 53.212 0.3 1 944 239 240 GLU CB C 33.152 0.3 1 945 239 240 GLU N N 118.288 0.3 1 946 240 241 PHE H H 8.733 0.020 1 947 240 241 PHE C C 175.003 0.3 1 948 240 241 PHE CA C 54.280 0.3 1 949 240 241 PHE CB C 35.239 0.3 1 950 240 241 PHE N N 123.750 0.3 1 951 241 242 ASP H H 7.542 0.020 1 952 241 242 ASP C C 176.562 0.3 1 953 241 242 ASP CA C 55.240 0.3 1 954 241 242 ASP CB C 40.627 0.3 1 955 241 242 ASP N N 119.104 0.3 1 956 242 243 SER H H 8.917 0.020 1 957 242 243 SER C C 174.338 0.3 1 958 242 243 SER CA C 57.115 0.3 1 959 242 243 SER CB C 62.706 0.3 1 960 242 243 SER N N 119.678 0.3 1 961 243 244 PRO C C 177.630 0.3 1 962 243 244 PRO CA C 62.818 0.3 1 963 243 244 PRO CB C 33.450 0.3 1 964 244 245 TYR H H 6.561 0.020 1 965 244 245 TYR C C 177.588 0.3 1 966 244 245 TYR CA C 59.447 0.3 1 967 244 245 TYR CB C 37.488 0.3 1 968 244 245 TYR N N 124.546 0.3 1 969 245 246 TRP H H 8.372 0.020 1 970 245 246 TRP C C 177.520 0.3 1 971 245 246 TRP CA C 57.422 0.3 1 972 245 246 TRP CB C 28.662 0.3 1 973 245 246 TRP N N 114.680 0.3 1 974 246 247 ASP H H 7.757 0.020 1 975 246 247 ASP C C 177.350 0.3 1 976 246 247 ASP CA C 57.320 0.3 1 977 246 247 ASP CB C 38.671 0.3 1 978 246 247 ASP N N 124.020 0.3 1 979 247 248 ASP H H 8.568 0.020 1 980 247 248 ASP C C 175.526 0.3 1 981 247 248 ASP CA C 53.658 0.3 1 982 247 248 ASP CB C 40.607 0.3 1 983 247 248 ASP N N 116.625 0.3 1 984 248 249 ILE H H 7.007 0.020 1 985 248 249 ILE C C 176.487 0.3 1 986 248 249 ILE CA C 57.277 0.3 1 987 248 249 ILE CB C 35.404 0.3 1 988 248 249 ILE N N 122.412 0.3 1 989 249 250 SER H H 10.543 0.020 1 990 249 250 SER C C 174.813 0.3 1 991 249 250 SER CA C 59.357 0.3 1 992 249 250 SER CB C 63.102 0.3 1 993 249 250 SER N N 126.978 0.3 1 994 250 251 ASP H H 8.605 0.020 1 995 250 251 ASP C C 179.538 0.3 1 996 250 251 ASP CA C 56.630 0.3 1 997 250 251 ASP CB C 39.310 0.3 1 998 250 251 ASP N N 120.309 0.3 1 999 254 255 ASP C C 177.531 0.3 1 1000 254 255 ASP CA C 57.374 0.3 1 1001 254 255 ASP CB C 42.955 0.3 1 1002 255 256 PHE H H 8.070 0.020 1 1003 255 256 PHE C C 176.029 0.3 1 1004 255 256 PHE CA C 61.653 0.3 1 1005 255 256 PHE CB C 37.713 0.3 1 1006 255 256 PHE N N 121.599 0.3 1 1007 256 257 ILE H H 7.706 0.020 1 1008 256 257 ILE C C 178.294 0.3 1 1009 256 257 ILE CA C 65.400 0.3 1 1010 256 257 ILE CB C 37.147 0.3 1 1011 256 257 ILE N N 116.817 0.3 1 1012 257 258 ARG H H 8.514 0.020 1 1013 257 258 ARG C C 178.006 0.3 1 1014 257 258 ARG CA C 58.380 0.3 1 1015 257 258 ARG CB C 29.354 0.3 1 1016 257 258 ARG N N 119.338 0.3 1 1017 258 259 ASN H H 6.962 0.020 1 1018 258 259 ASN C C 175.211 0.3 1 1019 258 259 ASN CA C 55.073 0.3 1 1020 258 259 ASN CB C 37.890 0.3 1 1021 258 259 ASN N N 113.435 0.3 1 1022 259 260 LEU H H 6.912 0.020 1 1023 259 260 LEU C C 177.936 0.3 1 1024 259 260 LEU CA C 56.248 0.3 1 1025 259 260 LEU CB C 41.398 0.3 1 1026 259 260 LEU N N 121.249 0.3 1 1027 260 261 MET C C 175.499 0.3 1 1028 260 261 MET CA C 54.891 0.3 1 1029 260 261 MET CB C 28.794 0.3 1 1030 261 262 GLU H H 7.036 0.020 1 1031 261 262 GLU C C 176.417 0.3 1 1032 261 262 GLU CA C 52.391 0.3 1 1033 261 262 GLU CB C 30.493 0.3 1 1034 261 262 GLU N N 122.527 0.3 1 1035 262 263 LYS H H 9.257 0.020 1 1036 262 263 LYS C C 174.955 0.3 1 1037 262 263 LYS CA C 59.798 0.3 1 1038 262 263 LYS CB C 31.975 0.3 1 1039 262 263 LYS N N 131.328 0.3 1 1040 263 264 ASP H H 9.619 0.020 1 1041 263 264 ASP C C 176.199 0.3 1 1042 263 264 ASP CA C 50.745 0.3 1 1043 263 264 ASP CB C 40.823 0.3 1 1044 263 264 ASP N N 121.545 0.3 1 1045 264 265 PRO C C 177.091 0.3 1 1046 264 265 PRO CA C 64.197 0.3 1 1047 264 265 PRO CB C 31.045 0.3 1 1048 265 266 ASN H H 8.481 0.020 1 1049 265 266 ASN C C 176.051 0.3 1 1050 265 266 ASN CA C 54.638 0.3 1 1051 265 266 ASN CB C 38.074 0.3 1 1052 265 266 ASN N N 115.620 0.3 1 1053 266 267 LYS H H 7.409 0.020 1 1054 266 267 LYS C C 176.121 0.3 1 1055 266 267 LYS CA C 55.928 0.3 1 1056 266 267 LYS CB C 33.557 0.3 1 1057 266 267 LYS N N 119.134 0.3 1 1058 267 268 ARG H H 7.338 0.020 1 1059 267 268 ARG C C 175.702 0.3 1 1060 267 268 ARG CA C 55.970 0.3 1 1061 267 268 ARG CB C 30.737 0.3 1 1062 267 268 ARG N N 123.110 0.3 1 1063 268 269 TYR H H 8.415 0.020 1 1064 268 269 TYR C C 177.782 0.3 1 1065 268 269 TYR CA C 55.414 0.3 1 1066 268 269 TYR CB C 36.677 0.3 1 1067 268 269 TYR N N 127.747 0.3 1 1068 269 270 THR H H 8.161 0.020 1 1069 269 270 THR C C 176.827 0.3 1 1070 269 270 THR CA C 60.177 0.3 1 1071 269 270 THR CB C 71.107 0.3 1 1072 269 270 THR N N 110.487 0.3 1 1073 270 271 CYS H H 9.142 0.020 1 1074 270 271 CYS C C 176.258 0.3 1 1075 270 271 CYS CA C 64.461 0.3 1 1076 270 271 CYS CB C 26.014 0.3 1 1077 270 271 CYS N N 119.024 0.3 1 1078 271 272 GLU H H 8.267 0.020 1 1079 271 272 GLU C C 178.432 0.3 1 1080 271 272 GLU CA C 58.785 0.3 1 1081 271 272 GLU CB C 28.477 0.3 1 1082 271 272 GLU N N 118.160 0.3 1 1083 272 273 GLN H H 7.131 0.020 1 1084 272 273 GLN C C 179.448 0.3 1 1085 272 273 GLN CA C 57.740 0.3 1 1086 272 273 GLN CB C 28.247 0.3 1 1087 272 273 GLN N N 117.472 0.3 1 1088 273 274 ALA H H 8.471 0.020 1 1089 273 274 ALA C C 178.375 0.3 1 1090 273 274 ALA CA C 54.889 0.3 1 1091 273 274 ALA CB C 18.762 0.3 1 1092 273 274 ALA N N 122.386 0.3 1 1093 274 275 ALA H H 8.141 0.020 1 1094 274 275 ALA C C 177.505 0.3 1 1095 274 275 ALA CA C 53.332 0.3 1 1096 274 275 ALA CB C 17.477 0.3 1 1097 274 275 ALA N N 116.622 0.3 1 1098 275 276 ARG H H 6.936 0.020 1 1099 275 276 ARG C C 176.080 0.3 1 1100 275 276 ARG CA C 54.544 0.3 1 1101 275 276 ARG CB C 30.235 0.3 1 1102 275 276 ARG N N 112.798 0.3 1 1103 276 277 HIS H H 7.724 0.020 1 1104 276 277 HIS C C 175.376 0.3 1 1105 276 277 HIS CA C 55.438 0.3 1 1106 276 277 HIS CB C 32.603 0.3 1 1107 276 277 HIS N N 126.359 0.3 1 1108 277 278 PRO C C 176.938 0.3 1 1109 277 278 PRO CA C 64.955 0.3 1 1110 278 279 TRP H H 11.225 0.020 1 1111 278 279 TRP C C 178.489 0.3 1 1112 278 279 TRP CA C 61.932 0.3 1 1113 278 279 TRP CB C 27.699 0.3 1 1114 278 279 TRP N N 123.062 0.3 1 1115 279 280 ILE H H 7.628 0.020 1 1116 279 280 ILE C C 177.273 0.3 1 1117 279 280 ILE CA C 58.526 0.3 1 1118 279 280 ILE CB C 35.813 0.3 1 1119 279 280 ILE N N 116.368 0.3 1 1120 280 281 ALA H H 8.411 0.020 1 1121 280 281 ALA C C 178.052 0.3 1 1122 280 281 ALA CA C 52.527 0.3 1 1123 280 281 ALA CB C 19.457 0.3 1 1124 280 281 ALA N N 120.826 0.3 1 1125 281 282 GLY H H 7.976 0.020 1 1126 281 282 GLY C C 175.413 0.3 1 1127 281 282 GLY CA C 44.607 0.3 1 1128 281 282 GLY N N 109.977 0.3 1 1129 282 283 ASP H H 8.469 0.020 1 1130 282 283 ASP C C 176.585 0.3 1 1131 282 283 ASP CA C 53.233 0.3 1 1132 282 283 ASP CB C 40.802 0.3 1 1133 282 283 ASP N N 122.272 0.3 1 1134 283 284 THR H H 7.093 0.020 1 1135 283 284 THR C C 175.608 0.3 1 1136 283 284 THR CA C 61.851 0.3 1 1137 283 284 THR CB C 68.641 0.3 1 1138 283 284 THR N N 107.887 0.3 1 1139 284 285 ALA H H 8.136 0.020 1 1140 284 285 ALA C C 178.170 0.3 1 1141 284 285 ALA CA C 52.486 0.3 1 1142 284 285 ALA CB C 16.904 0.3 1 1143 284 285 ALA N N 123.486 0.3 1 1144 285 286 LEU H H 6.993 0.020 1 1145 285 286 LEU C C 173.854 0.3 1 1146 285 286 LEU CA C 54.173 0.3 1 1147 285 286 LEU CB C 41.443 0.3 1 1148 285 286 LEU N N 123.494 0.3 1 1149 286 287 ASN H H 8.017 0.020 1 1150 286 287 ASN C C 174.895 0.3 1 1151 286 287 ASN CA C 50.991 0.3 1 1152 286 287 ASN CB C 39.323 0.3 1 1153 286 287 ASN N N 115.080 0.3 1 1154 287 288 LYS H H 7.310 0.020 1 1155 287 288 LYS C C 176.812 0.3 1 1156 287 288 LYS CA C 54.899 0.3 1 1157 287 288 LYS CB C 32.987 0.3 1 1158 287 288 LYS N N 121.129 0.3 1 1159 288 289 ASN H H 9.025 0.020 1 1160 288 289 ASN C C 176.454 0.3 1 1161 288 289 ASN CA C 53.196 0.3 1 1162 288 289 ASN CB C 36.714 0.3 1 1163 288 289 ASN N N 123.539 0.3 1 1164 289 290 ILE H H 9.304 0.020 1 1165 289 290 ILE C C 175.264 0.3 1 1166 289 290 ILE CA C 61.102 0.3 1 1167 289 290 ILE CB C 37.298 0.3 1 1168 289 290 ILE N N 126.705 0.3 1 1169 290 291 HIS H H 8.064 0.020 1 1170 290 291 HIS C C 177.522 0.3 1 1171 290 291 HIS CA C 61.707 0.3 1 1172 290 291 HIS CB C 32.058 0.3 1 1173 290 291 HIS N N 120.296 0.3 1 1174 291 292 GLU H H 9.010 0.020 1 1175 291 292 GLU C C 178.439 0.3 1 1176 291 292 GLU CA C 60.308 0.3 1 1177 291 292 GLU CB C 28.412 0.3 1 1178 291 292 GLU N N 120.299 0.3 1 1179 292 293 SER H H 8.272 0.020 1 1180 292 293 SER C C 177.041 0.3 1 1181 292 293 SER CA C 60.309 0.3 1 1182 292 293 SER CB C 62.941 0.3 1 1183 292 293 SER N N 112.288 0.3 1 1184 293 294 VAL H H 7.531 0.020 1 1185 293 294 VAL C C 178.552 0.3 1 1186 293 294 VAL CA C 66.375 0.3 1 1187 293 294 VAL CB C 31.377 0.3 1 1188 293 294 VAL N N 117.726 0.3 1 1189 294 295 SER H H 8.501 0.020 1 1190 294 295 SER C C 175.932 0.3 1 1191 294 295 SER CA C 61.563 0.3 1 1192 294 295 SER CB C 62.336 0.3 1 1193 294 295 SER N N 112.978 0.3 1 1194 295 296 ALA H H 7.159 0.020 1 1195 295 296 ALA C C 181.242 0.3 1 1196 295 296 ALA CA C 54.745 0.3 1 1197 295 296 ALA CB C 17.531 0.3 1 1198 295 296 ALA N N 124.171 0.3 1 1199 296 297 GLN H H 7.884 0.020 1 1200 296 297 GLN C C 179.273 0.3 1 1201 296 297 GLN CA C 57.508 0.3 1 1202 296 297 GLN CB C 26.357 0.3 1 1203 296 297 GLN N N 117.173 0.3 1 1204 297 298 ILE H H 8.885 0.020 1 1205 297 298 ILE C C 178.866 0.3 1 1206 297 298 ILE CA C 65.006 0.3 1 1207 297 298 ILE CB C 36.774 0.3 1 1208 297 298 ILE N N 124.588 0.3 1 1209 298 299 ARG H H 7.905 0.020 1 1210 298 299 ARG C C 178.171 0.3 1 1211 298 299 ARG CA C 58.785 0.3 1 1212 298 299 ARG CB C 29.466 0.3 1 1213 298 299 ARG N N 116.951 0.3 1 1214 299 300 LYS H H 7.199 0.020 1 1215 299 300 LYS C C 177.864 0.3 1 1216 299 300 LYS CA C 57.560 0.3 1 1217 299 300 LYS CB C 33.181 0.3 1 1218 299 300 LYS N N 116.395 0.3 1 1219 300 301 ASN H H 8.094 0.020 1 1220 300 301 ASN C C 174.694 0.3 1 1221 300 301 ASN CA C 55.248 0.3 1 1222 300 301 ASN CB C 40.697 0.3 1 1223 300 301 ASN N N 114.786 0.3 1 1224 301 302 PHE H H 8.395 0.020 1 1225 301 302 PHE C C 175.039 0.3 1 1226 301 302 PHE CA C 56.525 0.3 1 1227 301 302 PHE CB C 38.628 0.3 1 1228 301 302 PHE N N 119.653 0.3 1 1229 302 303 ALA H H 7.782 0.020 1 1230 302 303 ALA C C 177.895 0.3 1 1231 302 303 ALA CA C 52.787 0.3 1 1232 302 303 ALA CB C 18.590 0.3 1 1233 302 303 ALA N N 123.728 0.3 1 1234 305 306 LYS C C 176.713 0.3 1 1235 305 306 LYS CA C 56.597 0.3 1 1236 305 306 LYS CB C 31.483 0.3 1 1237 306 307 TRP H H 7.900 0.020 1 1238 306 307 TRP C C 176.490 0.3 1 1239 306 307 TRP CA C 56.696 0.3 1 1240 306 307 TRP CB C 28.873 0.3 1 1241 306 307 TRP N N 121.222 0.3 1 1242 307 308 ARG H H 7.953 0.020 1 1243 307 308 ARG C C 176.176 0.3 1 1244 307 308 ARG CA C 55.994 0.3 1 1245 307 308 ARG CB C 29.814 0.3 1 1246 307 308 ARG N N 122.213 0.3 1 1247 308 309 GLN H H 8.143 0.020 1 1248 308 309 GLN C C 175.732 0.3 1 1249 308 309 GLN CA C 55.584 0.3 1 1250 308 309 GLN CB C 28.716 0.3 1 1251 308 309 GLN N N 121.209 0.3 1 1252 309 310 ALA H H 8.153 0.020 1 1253 309 310 ALA C C 177.394 0.3 1 1254 309 310 ALA CA C 52.110 0.3 1 1255 309 310 ALA CB C 18.558 0.3 1 1256 309 310 ALA N N 124.791 0.3 1 1257 310 311 PHE H H 8.070 0.020 1 1258 310 311 PHE C C 175.329 0.3 1 1259 310 311 PHE CA C 57.401 0.3 1 1260 310 311 PHE CB C 38.890 0.3 1 1261 310 311 PHE N N 119.399 0.3 1 1262 311 312 ASN H H 8.186 0.020 1 1263 311 312 ASN C C 174.513 0.3 1 1264 311 312 ASN CA C 52.582 0.3 1 1265 311 312 ASN CB C 38.437 0.3 1 1266 311 312 ASN N N 120.978 0.3 1 1267 312 313 ALA H H 8.117 0.020 1 1268 312 313 ALA C C 177.747 0.3 1 1269 312 313 ALA CA C 52.358 0.3 1 1270 312 313 ALA CB C 18.657 0.3 1 1271 312 313 ALA N N 125.059 0.3 1 1272 313 314 THR H H 7.971 0.020 1 1273 313 314 THR C C 174.137 0.3 1 1274 313 314 THR CA C 61.527 0.3 1 1275 313 314 THR CB C 69.160 0.3 1 1276 313 314 THR N N 113.203 0.3 1 1277 314 315 ALA H H 8.062 0.020 1 1278 314 315 ALA C C 177.310 0.3 1 1279 314 315 ALA CA C 51.934 0.3 1 1280 314 315 ALA CB C 18.670 0.3 1 1281 314 315 ALA N N 126.949 0.3 1 1282 315 316 VAL H H 8.053 0.020 1 1283 315 316 VAL C C 175.362 0.3 1 1284 315 316 VAL CA C 61.982 0.3 1 1285 315 316 VAL CB C 31.826 0.3 1 1286 315 316 VAL N N 120.902 0.3 1 1287 316 317 VAL H H 7.635 0.020 1 1288 316 317 VAL C C 180.921 0.3 1 1289 316 317 VAL CA C 63.072 0.3 1 1290 316 317 VAL CB C 32.601 0.3 1 1291 316 317 VAL N N 128.406 0.3 1 1292 325 326 GLY C C 174.244 0.3 1 1293 325 326 GLY CA C 44.814 0.3 1 1294 326 327 SER H H 8.151 0.020 1 1295 326 327 SER C C 174.785 0.3 1 1296 326 327 SER CA C 57.912 0.3 1 1297 326 327 SER CB C 63.274 0.3 1 1298 326 327 SER N N 116.144 0.3 1 1299 327 328 SER C C 174.611 0.3 1 1300 327 328 SER CA C 58.213 0.3 1 1301 327 328 SER CB C 63.514 0.3 1 1302 328 329 LEU H H 8.195 0.020 1 1303 328 329 LEU C C 177.259 0.3 1 1304 328 329 LEU CA C 54.938 0.3 1 1305 328 329 LEU CB C 41.218 0.3 1 1306 328 329 LEU N N 124.036 0.3 1 1307 329 330 ASP H H 8.230 0.020 1 1308 329 330 ASP C C 176.432 0.3 1 1309 329 330 ASP CA C 54.023 0.3 1 1310 329 330 ASP CB C 40.611 0.3 1 1311 329 330 ASP N N 121.436 0.3 1 1312 330 331 SER H H 8.185 0.020 1 1313 330 331 SER C C 174.864 0.3 1 1314 330 331 SER CA C 58.190 0.3 1 1315 330 331 SER CB C 63.398 0.3 1 1316 330 331 SER N N 117.014 0.3 1 1317 331 332 SER H H 8.317 0.020 1 1318 331 332 SER C C 174.350 0.3 1 1319 331 332 SER CA C 58.630 0.3 1 1320 331 332 SER CB C 63.234 0.3 1 1321 331 332 SER N N 118.136 0.3 1 1322 332 333 ASN H H 8.242 0.020 1 1323 332 333 ASN C C 173.764 0.3 1 1324 332 333 ASN CA C 52.824 0.3 1 1325 332 333 ASN CB C 38.717 0.3 1 1326 332 333 ASN N N 121.197 0.3 1 1327 333 334 ALA H H 7.745 0.020 1 1328 333 334 ALA C C 182.491 0.3 1 1329 333 334 ALA CA C 53.472 0.3 1 1330 333 334 ALA CB C 19.314 0.3 1 1331 333 334 ALA N N 129.850 0.3 1 stop_ save_